6-(methoxymethyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde

C11H15N3O2S — CID 106260432

IUPAC6-(methoxymethyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCOCc1nc2sc(CC(C)C)nn2c1C=O
InChIInChI=1S/C11H15N3O2S/c1-7(2)4-10-13-14-9(5-15)8(6-16-3)12-11(14)17-10/h5,7H,4,6H2,1-3H3
InChIKeyFEYBORMPYGHHSL-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.95
Rot. Bonds5

About 6-(methoxymethyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde

6-(methoxymethyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (PubChem CID 106260432) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(methoxymethyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
PubChem CID106260432
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name6-(methoxymethyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
SMILESCOCc1nc2sc(CC(C)C)nn2c1C=O
InChIInChI=1S/C11H15N3O2S/c1-7(2)4-10-13-14-9(5-15)8(6-16-3)12-11(14)17-10/h5,7H,4,6H2,1-3H3
InChIKeyFEYBORMPYGHHSL-UHFFFAOYSA-N
XLogP1.95
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The IUPAC name of 6-(methoxymethyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde (CID 106260432) is 6-(methoxymethyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde.
What is the SMILES notation for 6-(methoxymethyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The canonical SMILES for 6-(methoxymethyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is COCc1nc2sc(CC(C)C)nn2c1C=O.
What is the InChIKey of 6-(methoxymethyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
The InChIKey is FEYBORMPYGHHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-7(2)4-10-13-14-9(5-15)8(6-16-3)12-11(14)17-10/h5,7H,4,6H2,1-3H3.
What are the key properties of 6-(methoxymethyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde?
6-(methoxymethyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde has a molecular weight of 253.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde is sourced from PubChem (CID 106260432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).